Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 3/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.41 |
| ▸ | TTR | P02766 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.40 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.40 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7744991 | 0.79 | ATM (0.51) | VCAM1TTRALDH1A1CYP3A4TSHR | |
| SCHEMBL177107 | 0.79 | ALDH1A1 (0.50) | VCAM1TTRALDH1A1HIF1AMAPT | |
| SCHEMBL11803455 | 0.78 | GPR35 (0.58) | VCAM1GPR35TTR | |
| SCHEMBL7247792 | 0.78 | TTR (0.60) | GPR35TTRALDH1A1HPGDCYP3A4 | |
| SCHEMBL21681844 | 0.77 | VCAM1 (0.49) | VCAM1ALDH1A1HPGDTDP1MAPT | |
| SCHEMBL11801800 | 0.76 | GPR35 (0.56) | VCAM1GPR35TTRALDH1A1HPGD | |
| SCHEMBL6740307 | 0.74 | VCAM1 (0.70) | VCAM1ALDH1A1HPGDMAPTKDM4E | |
| SCHEMBL8374757 | 0.72 | TDP1 (0.53) | VCAM1GPR35TTRALDH1A1HPGD | |
| SCHEMBL9378803 | 0.72 | ALDH1A1 (0.50) | VCAM1GPR35TTRALDH1A1HPGD | |
| SCHEMBL2795423 | 0.72 | CES2 (0.56) | TTRALDH1A1HIF1AMAPTGSK3B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104945264-A | One pot synthetic method of 2,4-dichloro-3-nitro-5-fluoro-benzoic acid | XU LINGLI | 2015-09-30 | — | — | CN | disclosed |